1LBT
| LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, METHYLPENTA(OXYETHYL) HEPTADECANOATE | Authors: | Uppenberg, J, Jones, T.A. | Deposit date: | 1995-07-11 | Release date: | 1995-10-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols. Biochemistry, 34, 1995
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7TTU
| 50S ribosomal subunit from Staphylococcus aureus (Strain ATCC43300) | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Belousoff, M.J, Piper, S, Johnson, R. | Deposit date: | 2022-02-01 | Release date: | 2022-07-06 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A Structurally Characterized Staphylococcus aureus Evolutionary Escape Route from Treatment with the Antibiotic Linezolid. Microbiol Spectr, 10, 2022
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6JVH
| Crystal structure of human MTH1 in complex with compound MI0320 | Descriptor: | 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVM
| Crystal structure of human MTH1 in complex with compound MI1016 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVF
| Crystal structure of human apo MTH1 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVL
| Crystal structure of human MTH1 in complex with compound MI1014 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6X41
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3CXC
| The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui | Descriptor: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ... | Authors: | Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M. | Deposit date: | 2008-04-24 | Release date: | 2009-04-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics. Bioorg.Med.Chem.Lett., 18, 2008
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1M78
| CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) | Descriptor: | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2002-07-19 | Release date: | 2003-03-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex. J.Biol.Chem., 272, 1997
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1M7A
| CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557) | Descriptor: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2002-07-19 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex. J.Biol.Chem., 272, 1997
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5OG6
| Cu nitrite reductase serial data at varying temperatures RT 0.24MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OFE
| Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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7MBL
| Crystal structure of Equine Serum Albumin in complex with Cobalt (II) | Descriptor: | COBALT (II) ION, SULFATE ION, Serum albumin | Authors: | Shabalin, I.G, Czub, M.P, Handing, K.B, Cymborowski, M.T, Grabowski, M, Cooper, D.R, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-03-31 | Release date: | 2021-04-14 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and biochemical characterisation of Co 2+ -binding sites on serum albumins and their interplay with fatty acids. Chem Sci, 14, 2023
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7LXH
| Bacillus cereus DNA glycosylase AlkD bound to a CC1065-adenine nucleobase adduct and DNA containing an abasic site | Descriptor: | 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), ... | Authors: | Mullins, E.A, Eichman, B.F. | Deposit date: | 2021-03-03 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.667 Å) | Cite: | Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites. Nat Commun, 12, 2021
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7LXJ
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2Y1F
| X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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3DPH
| HIV-1 capsid C-terminal domain mutant (L211S) | Descriptor: | HIV-1 CAPSID PROTEIN | Authors: | Igonet, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2008-07-08 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein. J.Biol.Chem., 283, 2008
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3DS3
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3DS4
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7UR3
| Hsp90 alpha inhibitor | Descriptor: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | Deposit date: | 2022-04-21 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode. Acs Med.Chem.Lett., 13, 2022
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5OG5
| Cu nitrite reductase serial data at varying temperatures RT 0.21MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OG3
| Cu nitrite reductase serial data at varying temperatures RT 0.15MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OGG
| Cu nitrite reductase serial data at varying temperatures RT 0.30MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-13 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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7JI1
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6XQK
| Crystal structure of the D/D domain of PKA from S. cerevisiae | Descriptor: | CHLORIDE ION, GLYCEROL, cAMP-dependent protein kinase regulatory subunit | Authors: | Larrieux, N, Gonzalez Bardeci, N, Trajtenberg, F, Buschiazzo, A. | Deposit date: | 2020-07-09 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The crystal structure of yeast regulatory subunit reveals key evolutionary insights into Protein Kinase A oligomerization. J.Struct.Biol., 213, 2021
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